use crate::{
LaunchType, License, LicenseCategory, ProcessExpense, SpecData, ToolCategory,
tool_definitions::catalog::{CatalogEntry, Identity},
};
pub const ENTRY: CatalogEntry = CatalogEntry {
identity: Identity::Uninstalled {
slug: "rdkit",
name: "RDKit",
},
categories: &[ToolCategory::Cheminformatics],
launch_type: LaunchType::PythonLib,
license_type: LicenseCategory::Permissive,
expense: ProcessExpense::Cheap,
primary_output: None,
primary_inputs: &[],
top_choice: false,
spec: SpecData {
summary: "Standardize molecules and turn atom-mapped reactions into explicit bond edits.",
description: "Deterministic cheminformatics preprocessing for molecule identity, reaction balance, atom-map quality, reaction centers, and bonds formed, broken, or changed before precedent search and enzyme design.",
availability: "Included Python dependency",
license_details: "BSD 3-Clause. Commercial use is unrestricted.",
repo_url: Some("https://github.com/rdkit/rdkit"),
home_url: Some("https://www.rdkit.org/"),
docs_url: Some("https://www.rdkit.org/docs/GettingStartedInPython.html"),
input_params_url: None,
examples_url: None,
paper_url: None,
license: License::Bsd3Clause,
license_url: None,
tested: false,
},
};